5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole

C12H13N3O2 — CID 80565173

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C12H13N3O2/c1-16-7-11-14-12(17-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3
InChIKeyONICXIRWLRLELX-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.77
Rot. Bonds3

About 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 80565173) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID80565173
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C12H13N3O2/c1-16-7-11-14-12(17-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3
InChIKeyONICXIRWLRLELX-UHFFFAOYSA-N
XLogP1.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole (CID 80565173) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is ONICXIRWLRLELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-7-11-14-12(17-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 231.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).